SCHEMBL27604502

SCHEMBL27604502

C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(N)cc2)CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NMBR P28336 20/20 0.77
GRPR P30550 18/20 0.77
FPR1 P21462 2/20 0.64
AGTR1 P30556 1/20 0.64
GPR65 Q8IYL9 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6252271 0.90 NMBR (0.94) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249883 0.82 NMBR (0.82) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179253 0.78 NMBR (0.83) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL30901851 0.78 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249801 0.78 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179971 0.78 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL9085407 0.77 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252316 0.76 NMBR (0.81) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181107 0.76 NMBR (0.81) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL397898 0.75 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1518445-A Treatment of sexual dysfunction 沃纳-兰伯特公司 2004-08-04 CN disclosed